N-[[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[2-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C28H29ClN4O3S MolecularWeight: 537.07286

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H29ClN4O3S/c1-2-19-36-23-13-9-20(10-14-23)26(34)31-28(37)30-24-5-3-4-6-25(24)32-15-17-33(18-16-32)27(35)21-7-11-22(29)12-8-21/h3-14H,2,15-19H2,1H3,(H2,30,31,34,37)